Molecule card · MolClass #39715
7968199
7968199: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 7968199Mitochondrial Fusion · compound_name
- MolClass ID
- 39715
- InChIKey
- MIFJOYCSXGSXDK-UHFFFAOYSA-N
- Canonical SMILES
- Cc2ccc3OC(=O)c1cnn(CC(=O)NCCN(C)C)c1c3(c2)
- Standard InChI
- InChI=1S/C17H20N4O3/c1-11-4-5-14-12(8-11)16-13(17(23)24-14)9-19-21(16)10-15(22)18-6-7-20(2)3/h4-5,8-9H,6-7,10H2,1-3H3,(H,18,22)
- Stored Murcko scaffold
- n1cc2[CH]Oc3ccccc3-c2[nH]1
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 328.366 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.569
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 7968199